Project: 6.2 (projwfc.x) projected DOS of Al | Quantum Espresso Tutorial 2019

[@haaardcoooreee]

I swear, you and Phys Whiz will be at my tesis acknowledgments part!!! Thank you so much.

[@roxanappg96]

Same!!

[@sebastiankalhoefer]

same

[@kaiserdostuff]

If acadamia not skeptical about KZbin tutorial, i already put your tutorial in my paper.

[@haseebahmad3500]

Useful.

[@amirhosseintalebi6770]

thanks a lot

[@mukhtarlawaladam7033]

Thank you very much for the tutorial. Please i would like to know how to plot the calculated projected Dos on high symmetry points.

[@sandhyaranisahoo3959]

Thank you so much for the tutorial. Do you know how to do orbital projected dos for any material?

[@hepsibahpriyadarshinic8530]

Thank you very much! Can you kindly tell me how to plot DOS using quantum espresso for HSE06

[@mennahasan2304]

Thank you for the video, would you please upload the script you used to plot PDOS, thanks

[@hilalkucuk5]

Thanks a lot for the explanation. Firstly you are making scf calculation. I wonder, should we find optimized coordination and then calculate scf, nscf using these optimized cordinations?

[@samuelekaputrapayongmasan8293]

Yes, you should. That way the geometry you use for the other calculations (scf, nscf, pp, dos, projwfc, etc) could have physical meaning (the system is in stationary point).

[@chuminhminh]

Can anyone tell me how to calculate projected band structure please using Quantum Espresso please? Thanks.

[@faxuancai]

Why the total DOS from this video is langer than the DOS from last video？

[@syedzaheerusmanali1031]

The gnu plot generated automatically or it is manually written

[@asifafzal75]

Will the sum of the pdos equal to the value of Total DOS we get from DOS calculations?

[@sujithns990]

Yes.

[@mattiasalomone8316]

Thank you very much! I have ony one question, don't you need to add "bnd=##" to specify how many bands are occupied?

[@mattiasalomone8316]

@@realquantumnerd Ok, thanks !

[@muhammadsherazkhan5440]

In my quantum espresso Bin , there is no sumdos.x . please help how can i obtain sumdos.x in bin

[@IgorPeixoto]

try use sumpdos.x

[@omermutasim1200]

how did you manage to get it bro ?

[@Mennu272]

Hi, I am trying to find pdos of a few materials. I followed all the steps. By using projwfc.x command I got those many files for all the atoms and their orbitals then by sumpdos command I got separate files of s ,p and d orbitals but in these files the value of energy is being repeated again and again and when i try to plot it, the graphs have certain anomalies. Anyone can please help me in this regard? Can you give me your email address so that I can show you my input and output files? Many Thanks

[@racharacha819]

Hello I was wondering if you find a solution of that problem? Cuz i have the same one

[@Oatno]

@@racharacha819 same I am running into the issue as well, it seems its the spin orbit calculation that causes issues with sumpdos. Have you figured it out?